methyl 2-[2-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(o-tolylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[(2-methylbenzyl)amino]ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14-7-3-4-8-15(14)11-22-18(25)13-29-21-23-17-10-6-5-9-16(17)20(27)24(21)12-19(26)28-2/h3-10H,11-13H2,1-2H3,(H,22,25)